2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide

C16H33N3O2 — CID 11438023

IUPAC2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNCCNC(=O)C(CC)CC
InChIInChI=1S/C16H33N3O2/c1-5-13(6-2)15(20)18-11-9-17-10-12-19-16(21)14(7-3)8-4/h13-14,17H,5-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVQLCIFCNXNKCOU-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.68
Rot. Bonds12

About 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide

2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide (PubChem CID 11438023) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide
PubChem CID11438023
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNCCNC(=O)C(CC)CC
InChIInChI=1S/C16H33N3O2/c1-5-13(6-2)15(20)18-11-9-17-10-12-19-16(21)14(7-3)8-4/h13-14,17H,5-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVQLCIFCNXNKCOU-UHFFFAOYSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide (CID 11438023) is 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide is CCC(CC)C(=O)NCCNCCNC(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide?
The InChIKey is VQLCIFCNXNKCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-13(6-2)15(20)18-11-9-17-10-12-19-16(21)14(7-3)8-4/h13-14,17H,5-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide?
2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide has a molecular weight of 299.46 g/mol, XLogP of 1.68, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-(2-ethylbutanoylamino)ethylamino]ethyl]butanamide is sourced from PubChem (CID 11438023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).